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Thermally Induced Diffusion and Restructuring of Iron Triade (Fe, Co, Ni) Nanoparticles Passivated by Several Layers of Gold

[Image: see text] The temperature-induced structural changes of Fe–, Co–, and Ni–Au core–shell nanoparticles with diameters around 5 nm are studied via atomically resolved transmission electron microscopy. We observe structural transitions from local toward global energy minima induced by elevated t...

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Detalles Bibliográficos
Autores principales: Schnedlitz, Martin, Knez, Daniel, Lasserus, Maximilian, Hofer, Ferdinand, Fernández-Perea, Ricardo, Hauser, Andreas W., Pilar de Lara-Castells, María, Ernst, Wolfgang E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7397372/
https://www.ncbi.nlm.nih.gov/pubmed/32765801
http://dx.doi.org/10.1021/acs.jpcc.0c04561
Descripción
Sumario:[Image: see text] The temperature-induced structural changes of Fe–, Co–, and Ni–Au core–shell nanoparticles with diameters around 5 nm are studied via atomically resolved transmission electron microscopy. We observe structural transitions from local toward global energy minima induced by elevated temperatures. The experimental observations are accompanied by a computational modeling of all core–shell particles with either centralized or decentralized core positions. The embedded atom model is employed and further supported by density functional theory calculations. We provide a detailed comparison of vacancy formation energies obtained for all materials involved in order to explain the variations in the restructuring processes which we observe in temperature-programmed TEM studies of the particles.